4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide

C11H24N2O3S — CID 54951943

IUPAC4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)CCCCN
InChIInChI=1S/C11H24N2O3S/c1-2-13(10-11-6-5-8-16-11)17(14,15)9-4-3-7-12/h11H,2-10,12H2,1H3
InChIKeyKGHSJOXLLBXXCH-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.56
Rot. Bonds8

About 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide

4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide (PubChem CID 54951943) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
PubChem CID54951943
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)CCCCN
InChIInChI=1S/C11H24N2O3S/c1-2-13(10-11-6-5-8-16-11)17(14,15)9-4-3-7-12/h11H,2-10,12H2,1H3
InChIKeyKGHSJOXLLBXXCH-UHFFFAOYSA-N
XLogP0.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61435361
N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 110733190
N-methyl-N-[[(2R)-oxan-2-yl]methyl]pentane-1-sulfonamide
CID 97306297
1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide
CID 131952531
N'-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43137301
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
N'-methyl-N'-[methyl(oxan-2-ylmethyl)sulfamoyl]propane-1,3-diamine
CID 54951890
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
CID 113066194
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
(2S,5R)-5-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 120789898
N'-ethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 65159083

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide (CID 54951943) is 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide is CCN(CC1CCCO1)S(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is KGHSJOXLLBXXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-2-13(10-11-6-5-8-16-11)17(14,15)9-4-3-7-12/h11H,2-10,12H2,1H3.
What are the key properties of 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide?
4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 54951943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).